Spektraris NMR
Kadlongirins B
Common Name: Kadlongirins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-22-21(14-11-18(27-5)20(29-7)19(12-14)28-6)31-24(30-8,23(22,2)32-22)15-9-10-16(25-3)17(13-15)26-4/h9-13,21H,1-8H3/t21-,22+,23+,24-/m0/s1
InChIKey: InChIKey=AYVHFHNOWLBSAU-KEZOAJOQSA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Gao, X.M., Lei, C., Xiao, W.L., Wang, R.R., Yang, L.B., Zhao, Y., Li, L.M., Huang, S.X., Zheng, Y.T., Sun, H.D. Chem Pharm Bull (2008) 56, 1143-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-Monoepoxylignans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 130.4 |
| 2 (CH) | 113.2 |
| 3 (C) | 150.8 |
| 4 (C) | 150 |
| 5 (CH) | 112.3 |
| 6 (CH) | 121.7 |
| 7 (C) | 109.4 |
| 8 (C) | 73.5 |
| 9 (CH3) | 10.8 |
| 1' (C) | 136.2 |
| 2' (CH) | 106.9 |
| 3' (C) | 154.7 |
| 4' (C) | 140.2 |
| 5' (C) | 154.7 |
| 6' (CH) | 106.9 |
| 7' (CH) | 87.7 |
| 8' (C) | 71.3 |
| 9' (CH3) | 12.8 |
| 3a (CH3) | 56.4 |
| 4a (CH3) | 56.5 |
| 7a (CH3) | 50.7 |
| 3'a (CH3) | 56.5 |
| 4'a (CH3) | 61.1 |
| 5'a (CH3) | 56.5 |
